3-[(4,4-dimethyl-3-oxopentan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid

C14H23NO4 — CID 176949294

IUPAC3-[(4,4-dimethyl-3-oxopentan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCC(NC(=O)C1CCC(C(=O)O)C1)C(=O)C(C)(C)C
InChIInChI=1S/C14H23NO4/c1-8(11(16)14(2,3)4)15-12(17)9-5-6-10(7-9)13(18)19/h8-10H,5-7H2,1-4H3,(H,15,17)(H,18,19)
InChIKeyXIXAYVHREAHCGY-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.61
Rot. Bonds4

About 3-[(4,4-dimethyl-3-oxopentan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid

3-[(4,4-dimethyl-3-oxopentan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 176949294) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-[(4,4-dimethyl-3-oxopentan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(4,4-dimethyl-3-oxopentan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID176949294
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name3-[(4,4-dimethyl-3-oxopentan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCC(NC(=O)C1CCC(C(=O)O)C1)C(=O)C(C)(C)C
InChIInChI=1S/C14H23NO4/c1-8(11(16)14(2,3)4)15-12(17)9-5-6-10(7-9)13(18)19/h8-10H,5-7H2,1-4H3,(H,15,17)(H,18,19)
InChIKeyXIXAYVHREAHCGY-UHFFFAOYSA-N
XLogP1.61
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(4,4-dimethyl-3-oxopentan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3,3-dimethylbutan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 115978031
3-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103550244
3-[(1-carboxy-3-methylbutyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550597
3-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550835
(3R)-5-(propan-2-ylcarbamoyl)cyclohexane-1,3-dicarboxylic acid
CID 71289873
(3S)-cyclopentane-1,3-dicarboxylic acid
CID 138481198
3-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103549827
3-(1-piperidin-1-ylpropan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63782980
N-[1-(tert-butylamino)-1-oxopropan-2-yl]cyclopropanecarboxamide
CID 112684633
3-(1-hydroxypentan-3-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103551207
3-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103551301
cis-(1S,3R)-3-(1-thiophen-2-ylethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114091689

Frequently Asked Questions

What is the IUPAC name of 3-[(4,4-dimethyl-3-oxopentan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(4,4-dimethyl-3-oxopentan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid (CID 176949294) is 3-[(4,4-dimethyl-3-oxopentan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(4,4-dimethyl-3-oxopentan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(4,4-dimethyl-3-oxopentan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid is CC(NC(=O)C1CCC(C(=O)O)C1)C(=O)C(C)(C)C.
What is the InChIKey of 3-[(4,4-dimethyl-3-oxopentan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is XIXAYVHREAHCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-8(11(16)14(2,3)4)15-12(17)9-5-6-10(7-9)13(18)19/h8-10H,5-7H2,1-4H3,(H,15,17)(H,18,19).
What are the key properties of 3-[(4,4-dimethyl-3-oxopentan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid?
3-[(4,4-dimethyl-3-oxopentan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,4-dimethyl-3-oxopentan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 176949294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).